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Patent code US10287258

Compile Data Set for Download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195239
PNG
(CHEMBL3972563 | US10287258, Example 29)
Show SMILES Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C23H24N4O3S/c1-27-19-12-17(7-8-21(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)20-14-25-9-2-10-30-20/h3-8,12,18,20,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,20-/s2
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n/an/a 2.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385058
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2-methoxyethyl)-2-ox...)
Show SMILES COCCn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4S/c1-32-12-10-29-21-14-19(7-8-23(21)34-25(29)31)18-5-3-17(4-6-18)13-20(15-26)28-24(30)22-16-27-9-2-11-33-22/h3-8,14,20,22,27H,2,9-13,16H2,1H3,(H,28,30)/t20-,22-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195235
PNG
(CHEMBL3900409 | US10287258, Example 2)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/s2
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n/an/a 4.47n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385076
PNG
(US10287258, Example 36)
Show SMILES CC[C@H](NC(=O)[C@@H]1CNCCCO1)\C=C\C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C20H27N3O3/c1-2-16(22-20(25)18-14-21-11-5-13-26-18)8-9-19(24)23-12-10-15-6-3-4-7-17(15)23/h3-4,6-9,16,18,21H,2,5,10-14H2,1H3,(H,22,25)/b9-8+/t16-,18-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385055
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(7-fluoro-3-methyl-2-oxo...)
Show SMILES Cn1c2cc(cc(F)c2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H23FN4O4/c1-28-19-11-16(10-18(24)21(19)32-23(28)30)15-5-3-14(4-6-15)9-17(12-25)27-22(29)20-13-26-7-2-8-31-20/h3-6,10-11,17,20,26H,2,7-9,13H2,1H3,(H,27,29)/t17-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385077
PNG
(US10287258, Example 37)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CNCCCO1)\C=C\C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H31N3O3/c1-16(2)14-18(24-22(27)20-15-23-11-5-13-28-20)8-9-21(26)25-12-10-17-6-3-4-7-19(17)25/h3-4,6-9,16,18,20,23H,5,10-15H2,1-2H3,(H,24,27)/b9-8+/t18-,20+/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195246
PNG
(CHEMBL3980602 | US10287258, Example 16)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C24H26N4O4/c1-2-28-20-13-18(8-9-21(20)32-24(28)30)17-6-4-16(5-7-17)12-19(14-25)27-23(29)22-15-26-10-3-11-31-22/h4-9,13,19,22,26H,2-3,10-12,15H2,1H3,(H,27,29)/t19-,22-/s2
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n/an/a 5.75n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385057
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(cyclopropylmethyl)-2...)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2oc(=O)n(CC3CC3)c2c1)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C26H28N4O4/c27-14-21(29-25(31)24-15-28-10-1-11-33-24)12-17-4-6-19(7-5-17)20-8-9-23-22(13-20)30(26(32)34-23)16-18-2-3-18/h4-9,13,18,21,24,28H,1-3,10-12,15-16H2,(H,29,31)/t21-,24-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195248
PNG
(CHEMBL3891374 | US10287258, Example 27)
Show SMILES FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C24H24F2N4O4/c25-22(26)14-30-19-11-17(6-7-20(19)34-24(30)32)16-4-2-15(3-5-16)10-18(12-27)29-23(31)21-13-28-8-1-9-33-21/h2-7,11,18,21-22,28H,1,8-10,13-14H2,(H,29,31)/t18-,21-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385053
PNG
((2S)-N-[(1S)-1-Cyano-2-(4-{3-[2-(dimethylamino)eth...)
Show SMILES CN(C)CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C26H31N5O4/c1-30(2)11-12-31-22-15-20(8-9-23(22)35-26(31)33)19-6-4-18(5-7-19)14-21(16-27)29-25(32)24-17-28-10-3-13-34-24/h4-9,15,21,24,28H,3,10-14,17H2,1-2H3,(H,29,32)/t21-,24-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385061
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2-methoxyethyl)-2-ox...)
Show SMILES COCCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O5/c1-32-12-10-29-21-14-19(7-8-22(21)34-25(29)31)18-5-3-17(4-6-18)13-20(15-26)28-24(30)23-16-27-9-2-11-33-23/h3-8,14,20,23,27H,2,9-13,16H2,1H3,(H,28,30)/t20-,23-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385052
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2,2-difluoroethyl)-7...)
Show SMILES FC(F)Cn1c2cc(cc(F)c2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-18-9-16(10-19-22(18)35-24(33)31(19)13-21(26)27)15-4-2-14(3-5-15)8-17(11-28)30-23(32)20-12-29-6-1-7-34-20/h2-5,9-10,17,20-21,29H,1,6-8,12-13H2,(H,30,32)/t17-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195240
PNG
(CHEMBL3960432 | US10287258, Example 3)
Show SMILES Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C24H26N4O4/c1-15-10-18(12-20-22(15)32-24(30)28(20)2)17-6-4-16(5-7-17)11-19(13-25)27-23(29)21-14-26-8-3-9-31-21/h4-7,10,12,19,21,26H,3,8-9,11,14H2,1-2H3,(H,27,29)/t19-,21-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385065
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(tetrahydro-2H-...)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2oc(=O)n(CC3CCOCC3)c2c1)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C28H32N4O5/c29-16-23(31-27(33)26-17-30-10-1-11-36-26)14-19-2-4-21(5-3-19)22-6-7-25-24(15-22)32(28(34)37-25)18-20-8-12-35-13-9-20/h2-7,15,20,23,26,30H,1,8-14,17-18H2,(H,31,33)/t23-,26-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195238
PNG
(CHEMBL3962926 | US10287258, Example 20)
Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385049
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(4-methyl-3-oxo-3,4-dihy...)
Show SMILES CN1C(=O)CSc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-20-12-18(7-8-22(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)21-14-26-9-2-10-31-21/h3-8,12,19,21,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,21-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385066
PNG
((2S)-N-{(1S)-2-[4-(7-Chloro-3-methyl-2-oxo-2,3-dih...)
Show SMILES Cn1c2cc(cc(Cl)c2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H23ClN4O4/c1-28-19-11-16(10-18(24)21(19)32-23(28)30)15-5-3-14(4-6-15)9-17(12-25)27-22(29)20-13-26-7-2-8-31-20/h3-6,10-11,17,20,26H,2,7-9,13H2,1H3,(H,27,29)/t17-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195244
PNG
(CHEMBL3926554 | US10287258, Example 24)
Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/s2
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n/an/a 13.8n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195245
PNG
(CHEMBL3972158 | US10287258, Example 5)
Show SMILES Cc1noc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C23H24N4O3/c1-15-20-12-18(7-8-21(20)30-27-15)17-5-3-16(4-6-17)11-19(13-24)26-23(28)22-14-25-9-2-10-29-22/h3-8,12,19,22,25H,2,9-11,14H2,1H3,(H,26,28)/t19-,22-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195242
PNG
(CHEMBL3917575 | US10287258, Example 14)
Show SMILES CN1C(=O)C(F)(F)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C24H24F2N4O3/c1-30-20-12-17(7-8-19(20)24(25,26)23(30)32)16-5-3-15(4-6-16)11-18(13-27)29-22(31)21-14-28-9-2-10-33-21/h3-8,12,18,21,28H,2,9-11,14H2,1H3,(H,29,31)/t18-,21-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385062
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(5-cyanothiophen-2-yl)ph...)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(s1)C#N)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C20H20N4O2S/c21-11-16(24-20(25)18-13-23-8-1-9-26-18)10-14-2-4-15(5-3-14)19-7-6-17(12-22)27-19/h2-7,16,18,23H,1,8-10,13H2,(H,24,25)/t16-,18-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385071
PNG
((2S)-N-{(1S)-2-[4'-(Azetidin-1-ylsulfonyl)biphenyl...)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC1)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C24H28N4O4S/c25-16-21(27-24(29)23-17-26-11-1-14-32-23)15-18-3-5-19(6-4-18)20-7-9-22(10-8-20)33(30,31)28-12-2-13-28/h3-10,21,23,26H,1-2,11-15,17H2,(H,27,29)/t21-,23-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385050
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(3-ethyl-7-methyl-2-oxo-...)
Show SMILES CCn1c2cc(cc(C)c2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-3-29-21-13-19(11-16(2)23(21)33-25(29)31)18-7-5-17(6-8-18)12-20(14-26)28-24(30)22-15-27-9-4-10-32-22/h5-8,11,13,20,22,27H,3-4,9-10,12,15H2,1-2H3,(H,28,30)/t20-,22-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195236
PNG
(CHEMBL3927609 | US10287258, Example 1)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195255
PNG
(CHEMBL3945475 | US10287258, Example 6)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1/C22H22F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-19(13-26)28-21(29)20-14-27-10-1-11-30-20/h2-9,19-20,27H,1,10-12,14H2,(H,28,29)/t19-,20-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385070
PNG
((2S)-N-{(1S)-1-Cyano-2-[4'-(methylsulfonyl)bipheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C22H25N3O4S/c1-30(27,28)20-9-7-18(8-10-20)17-5-3-16(4-6-17)13-19(14-23)25-22(26)21-15-24-11-2-12-29-21/h3-10,19,21,24H,2,11-13,15H2,1H3,(H,25,26)/t19-,21-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385072
PNG
((2S)-N-[(1S)-1-Cyano-2-(4'-fluorobiphenyl-4-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C21H22FN3O2/c22-18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-19(13-23)25-21(26)20-14-24-10-1-11-27-20/h2-9,19-20,24H,1,10-12,14H2,(H,25,26)/t19-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385074
PNG
(US10287258, Example 34)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)C1CNCCCO1
Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21?/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195263
PNG
(CHEMBL3942969 | US10287258, Example 33)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1/C22H22N4O2S/c23-12-18(26-22(27)20-13-24-8-1-9-28-20)10-15-2-4-16(5-3-15)17-6-7-21-19(11-17)25-14-29-21/h2-7,11,14,18,20,24H,1,8-10,13H2,(H,26,27)/t18-,20-/s2
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385063
PNG
((2S)-N-[(1S)-2-(4'-Carbamoy1-3'-fluorobiphenyl-4-y...)
Show SMILES NC(=O)c1ccc(cc1F)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C22H23FN4O3/c23-19-11-16(6-7-18(19)21(25)28)15-4-2-14(3-5-15)10-17(12-24)27-22(29)20-13-26-8-1-9-30-20/h2-7,11,17,20,26H,1,8-10,13H2,(H2,25,28)(H,27,29)/t17-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385047
PNG
((2S)-N-[(1S)-1-Cyano-2-(3',4'-difluorobiphenyl-4-y...)
Show SMILES Fc1ccc(cc1F)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C21H21F2N3O2/c22-18-7-6-16(11-19(18)23)15-4-2-14(3-5-15)10-17(12-24)26-21(27)20-13-25-8-1-9-28-20/h2-7,11,17,20,25H,1,8-10,13H2,(H,26,27)/t17-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385044
PNG
(4′-[(2S)-2-Cyano-2-{[(2S)-1,4-oxazepan-2-ylc...)
Show SMILES CS(=O)(=O)Oc1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-31(27,28)30-20-5-2-4-18(13-20)17-8-6-16(7-9-17)12-19(14-23)25-22(26)21-15-24-10-3-11-29-21/h2,4-9,13,19,21,24H,3,10-12,15H2,1H3,(H,25,26)/t19-,21-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385048
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(6-cyanopyridin-3-yl)phe...)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(nc1)C#N)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C21H21N5O2/c22-11-18-7-6-17(13-25-18)16-4-2-15(3-5-16)10-19(12-23)26-21(27)20-14-24-8-1-9-28-20/h2-7,13,19-20,24H,1,8-10,14H2,(H,26,27)/t19-,20-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385051
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2-hydroxy-2-methylpr...)
Show SMILES CC(C)(O)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C26H30N4O5/c1-26(2,33)16-30-21-13-19(8-9-22(21)35-25(30)32)18-6-4-17(5-7-18)12-20(14-27)29-24(31)23-15-28-10-3-11-34-23/h4-9,13,20,23,28,33H,3,10-12,15-16H2,1-2H3,(H,29,31)/t20-,23-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10287258 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%